Glycoside
GD117531
Name:
Streptomycin 6-PhosphateFormula:
C21H40O15N7PSmiles:
CNC1C(OC2C(OC3C(O)C(OP(=O)(O)O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1OAglycone:
N=C(N)NC1C(O)C(O)C(OP(=O)(O)O)C(NC(=N)N)C1OSugarmoiety:
CNC1C(OC2C(O)OC(C)C2(O)C=O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.86 |
| AlogP: | -7.62 | Num_rotatable_bonds: | 11 |
| MolWt: | 661.56 | Num_heavy_atoms: | 44 |
| TPSA: | 377.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD46869
Formula: C8H19O7N6P
Smiles:
N=C(N)NC1C(O)C(O)C(OP(=O)(O)O)C(NC(=N)N)C1O| HBA: | 13 | RingCount: | 1 |
| HBD: | 13 | FractionCSP3: | 0.75 |
| AlogP: | -4.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 342.25 | Num_heavy_atoms: | 22 |
| TPSA: | 251.25 | NumAromaticRings: | 0 |
